4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium

C22H32N+ — CID 160661708

IUPAC4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
SMILESCc1cc(CC(C)C)ccc1-c1cc(CC(C)(C)C)cc[n+]1C
InChIInChI=1S/C22H32N/c1-16(2)12-18-8-9-20(17(3)13-18)21-14-19(10-11-23(21)7)15-22(4,5)6/h8-11,13-14,16H,12,15H2,1-7H3/q+1
InChIKeyLFVUGVZZPLRVKF-UHFFFAOYSA-N
MW310.51 g/mol
LogP5.27
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium

4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium (PubChem CID 160661708) has the molecular formula C22H32N+ and a molecular weight of 310.51 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
PubChem CID160661708
Molecular FormulaC22H32N+
Molecular Weight310.51 g/mol
Exact Mass310.25
IUPAC Name4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
SMILESCc1cc(CC(C)C)ccc1-c1cc(CC(C)(C)C)cc[n+]1C
InChIInChI=1S/C22H32N/c1-16(2)12-18-8-9-20(17(3)13-18)21-14-19(10-11-23(21)7)15-22(4,5)6/h8-11,13-14,16H,12,15H2,1-7H3/q+1
InChIKeyLFVUGVZZPLRVKF-UHFFFAOYSA-N
XLogP5.27
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium
CID 159134566
1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium
CID 158625991
4-(2,2-dimethylpropyl)-1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 177075119
[4-tert-butyl-1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 159368810
2-(4-butan-2-yl-2-methylphenyl)-1,5-dimethylpyridin-1-ium;2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium;1,5-dimethyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium;2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
CID 158801824
6-[4-(2,2-dimethylpropyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-4-[4-(2-methylpropyl)phenyl]dibenzofuran-3-carbonitrile
CID 166037766
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]germane
CID 159056886
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-4-pentan-3-ylpyridin-1-ium;1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-(2-methyl-4-propan-2-ylphenyl)-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-propan-2-ylphenyl)-4-pentan-3-ylpyridin-1-ium
CID 159842169
trimethyl-[1-methyl-6-[2-methyl-4-(2-methylpropyl)phenyl]-4-propan-2-ylpyridin-1-ium-3-yl]silane
CID 158976936
1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 123682313
4-cyclohexyl-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;4-cyclopentyl-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]-4-propan-2-ylpyridin-1-ium
CID 157202209
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161246265

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium (CID 160661708) is 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium is Cc1cc(CC(C)C)ccc1-c1cc(CC(C)(C)C)cc[n+]1C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
The InChIKey is LFVUGVZZPLRVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N/c1-16(2)12-18-8-9-20(17(3)13-18)21-14-19(10-11-23(21)7)15-22(4,5)6/h8-11,13-14,16H,12,15H2,1-7H3/q+1.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium?
4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium has a molecular weight of 310.51 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 160661708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).